General Information of the Compound
| Compound ID |
CP0426051
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| Compound Name |
2-[2-(4-Chloro-phenylamino)-4-phenyl-thiazol-5-yl]-3-(4-methoxy-phenyl)-3H quinazolin-4-one
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| Structure |
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| Formula |
C30H21ClN4O2S
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| Molecular Weight |
537.044
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| Canonical SMILES |
COc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(Nc2ccc(Cl)cc2)nc1-c1ccccc1
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| InChI |
InChI=1S/C30H21ClN4O2S/c1-37-23-17-15-22(16-18-23)35-28(33-25-10-6-5-9-24(25)29(35)36)27-26(19-7-3-2-4-8-19)34-30(38-27)32-21-13-11-20(31)12-14-21/h2-18H,1H3,(H,32,34)
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| InChIKey |
FSKJBECTGTZULY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound